4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride
Basic information
- CAS
108445-89-2- Standard SMILES
CCC1(CC)Cn2c(cc(=Nc3c(C)cc(C)cc3C)n(C)c2=O)-c2cc(OC)c(OC)cc21.Cl- InChIKey
LEZIBYQHBHZTOZ-UHFFFAOYSA-N- Molecular formula
- C28H36ClN3O3
- Average molar mass
- 498.1 g/mol
- Monoisotopic mass
- 497.2445197
Names & identifiers
- Preferred name
- 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride
- IUPAC
- 7,7-diethyl-9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6H-pyrimido[6,1-a]isoquinolin-4-one;hydrochloride
Names & synonyms
108445-89-24H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-7,7-diethyl-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochlorideSCHEMBL2455639SCHEMBL2455642
Database identifiers
- CAS
108445-89-2- PubChem CID
- 3065613
Properties
Computed structural properties
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 808
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…